For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Methyl-3-(2-methylphenyl)pentanoic acid
SpectraBase Compound ID HRflaK1Wbts
InChI InChI=1S/C13H18O2/c1-9(2)12(8-13(14)15)11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3,(H,14,15)
InChIKey UUBRTFLPSQWFQU-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DtwMAyOgBNc
Name 4-Methyl-3-(2-methylphenyl)pentanoic acid
Alternate Name(s) 4-Methyl-3-(o-tolyl)pentanoic acid
CAS Registry Number 100994-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(2)12(8-13(14)15)11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3,(H,14,15)
InChIKey UUBRTFLPSQWFQU-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OC(CC(c1c(C)cccc1)C(C)C)=O
SPLASH splash10-00di-1910000000-c1a3bc2cecd2e5b1c7a7
Source of Spectrum J-51-1405-10
Wiley ID 1204749